(2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine

C20H16N2 — CID 15333384

IUPAC(2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine
SMILESCn1/c(=C\C=N\c2ccccc2)c2cccc3cccc1c32
InChIInChI=1S/C20H16N2/c1-22-18(13-14-21-16-9-3-2-4-10-16)17-11-5-7-15-8-6-12-19(22)20(15)17/h2-14H,1H3/b18-13-,21-14+
InChIKeyRMCDPZXARCMZFV-ZRWDRPBKSA-N
MW284.36 g/mol
LogP4.23
Rot. Bonds2

About (2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine

(2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine (PubChem CID 15333384) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine.

Molecular Properties

Compound Name(2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine
PubChem CID15333384
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name(2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine
SMILESCn1/c(=C\C=N\c2ccccc2)c2cccc3cccc1c32
InChIInChI=1S/C20H16N2/c1-22-18(13-14-21-16-9-3-2-4-10-16)17-11-5-7-15-8-6-12-19(22)20(15)17/h2-14H,1H3/b18-13-,21-14+
InChIKeyRMCDPZXARCMZFV-ZRWDRPBKSA-N
XLogP4.23
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine
CID 59951291
5-[(2Z,5Z)-2,5-bis[(2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)ethylidene]cyclopentylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 155765121
1-carbazol-9-yl-N-phenylmethanimine
CID 156861603
N-methyl-N'-phenylethane-1,2-diimine
CID 21014566
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251
1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;ethane
CID 167576917
ethene;12-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145210762
7-methyl-N,N-diphenylbenzo[c]carbazol-11-amine
CID 126631213
4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 101385222
9-methyl-4-(1-methylindol-2-yl)carbazole
CID 13159227
N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide
CID 13081759

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine?
The IUPAC name of (2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine (CID 15333384) is (2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine.
What is the SMILES notation for (2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine?
The canonical SMILES for (2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine is Cn1/c(=C\C=N\c2ccccc2)c2cccc3cccc1c32.
What is the InChIKey of (2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine?
The InChIKey is RMCDPZXARCMZFV-ZRWDRPBKSA-N. The full InChI is InChI=1S/C20H16N2/c1-22-18(13-14-21-16-9-3-2-4-10-16)17-11-5-7-15-8-6-12-19(22)20(15)17/h2-14H,1H3/b18-13-,21-14+.
What are the key properties of (2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine?
(2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine has a molecular weight of 284.36 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine is sourced from PubChem (CID 15333384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).